General Information of the Compound
| Compound ID |
CP0177398
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| Compound Name |
2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)(benzo[d][1,3]dioxol-5-ylmethyl)amino)acetic acid
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| Structure |
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| Formula |
C29H28N2O6
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| Molecular Weight |
500.551
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| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccc3OCOc3c2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C29H28N2O6/c1-20-25(30-29(37-20)23-5-3-2-4-6-23)13-14-34-24-10-7-21(8-11-24)16-31(18-28(32)33)17-22-9-12-26-27(15-22)36-19-35-26/h2-12,15H,13-14,16-19H2,1H3,(H,32,33)
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| InChIKey |
COCLDEIMTMDHQO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound